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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:ergocristine
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Accession:CHEBI:4821 term browser browse the term
Definition:Ergotaman bearing benzyl, hydroxy, and isopropyl groups at the 5', 12' and 2' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid.
Synonyms:exact_synonym: 5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)ergotaman
 related_synonym: Formula=C35H39N5O5;   InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1;   InChIKey=HEFIYUQVAZFDEE-MKTPKCENSA-N;   SMILES=[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](Cc5ccccc5)C(=O)N5CCC[C@@]25[H])C1=O)C(C)C)c34;   ergocrystine
 alt_id: CHEBI:587000
 xref: Beilstein:79046;   CAS:511-08-0;   KEGG:C09164;   KNApSAcK:C00001720
 xref_mesh: MESH:C100270
 xref: Patent:US2447214



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ergocristine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb11 ATP-binding cassette, sub-family B member 11 multiple interactions
decreases activity
ISO ergocristine inhibits the reaction [ABCB11 protein results in increased transport of Taurocholic Acid]
ergocristine results in decreased activity of ABCB11 protein
CTD PMID:24014644 NCBI chr 2:69,068,626...69,172,960
Ensembl chr 2:69,068,626...69,172,958
JBrowse link
G Casp3 caspase 3 increases activity ISO ergocristine results in increased activity of CASP3 protein CTD PMID:21295106 NCBI chr 8:47,070,326...47,092,733
Ensembl chr 8:47,070,326...47,092,724
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22178
    role 22194
      biological role 22162
        biochemical role 21431
          metabolite 21379
            alkaloid 7888
              indole alkaloid 1953
                ergotaman 42
                  ergocristine 2
                    dihydroergocristine + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    p-block element atom 22104
                      carbon group element atom 21904
                        carbon atom 21859
                          organic molecular entity 21830
                            heteroorganic entity 21482
                              organonitrogen compound 19809
                                alkaloid 7888
                                  indole alkaloid 1953
                                    terpenoid indole alkaloid 1507
                                      hemiterpenoid indole alkaloid 28
                                        ergot alkaloid 28
                                          ergocristine 2
                                            dihydroergocristine + 0
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